data_1001766
_chemical_name_systematic          'Dipotassium catena-tungstodiphosphate'
_chemical_formula_structural       'K2 (W P2 O9)'
_chemical_formula_sum              'K2 O9 P2 W'
_publ_section_title
;
New molybdeno- and tungstodiphosphates with the (N H4)2 Mo O2 P2
O7chain-like structure
;
loop_
_publ_author_name
  'Borel, M-M'
  'Leclaire, A'
  'Chardon, J'
  'Michel, C'
  'Raveau, B'
_journal_name_full
;
Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences,
Ser. II (1994-)
;
_journal_coden_ASTM                CMCAEK
_journal_volume                    324
_journal_year                      1997
_journal_page_first                189
_journal_page_last                 195
_cell_length_a                     13.766(1)
_cell_length_b                     8.002(1)
_cell_length_c                     15.497(1)
_cell_angle_alpha                  90
_cell_angle_beta                   98.34(1)
_cell_angle_gamma                  90
_cell_volume                       1689.0
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 2/c 1'
_symmetry_Int_Tables_number        15
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  W6+    6.000
  P5+    5.000
  K1+    1.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  W1    W6+    8 f 0.11472(5) 0.14487(9) 0.13527(4) 1.  0 d
  P1    P5+    8 f 0.1283(3) 0.0821(5) 0.3443(2) 1.  0 d
  P2    P5+    8 f -0.0367(3) 0.5596(2) 0.5768(2) 1.  0 d
  K1    K1+    8 f 0.3543(2) 0.1619(5) 0.2613(2) 1.  0 d
  K2    K1+    8 f 0.1436(2) 0.5817(4) -0.0216(2) 1.  0 d
  O1    O2-    8 f 0.1468(6) 0.331(1) 0.1866(6) 1.  0 d
  O2    O2-    8 f 0.2255(7) 0.075(1) 0.1120(6) 1.  0 d
  O3    O2-    8 f 0.0711(6) 0.250(1) 0.0195(6) 1.  0 d
  O4    O2-    8 f 0.1220(6) 0.019(1) 0.2491(8) 1.  0 d
  O5    O2-    8 f -0.0367(6) 0.181(1) 0.1449(6) 1.  0 d
  O6    O2-    8 f 0.0525(6) -0.088(1) 0.0821(6) 1.  0 d
  O7    O2-    8 f 0.1257(7) -0.090(1) 0.3965(6) 1.  0 d
  O8    O2-    8 f 0.2226(6) 0.167(1) 0.3780(6) 1.  0 d
  O9    O2-    8 f -0.0259(6) 0.352(1) 0.6296(6) 1.  0 d
_refine_ls_R_factor_all            0.039